SCHEMBL4083896

SCHEMBL4083896

CC(C)COC(=O)c1c(N)sc2c1C1CCN2CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.74
ALDH1A1 P00352 11/20 0.45
HPGD P15428 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 5/20 0.36
TSHR P16473 3/20 0.34
LMNA P02545 1/20 0.34
FHIT P49789 1/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34
ALOX15 P16050 2/20 0.34
ALOX12 P18054 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4080036 0.86 GAA (0.97) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3758303 0.65 ALDH1A1 (0.72) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL31296907 0.64 ALDH1A1 (0.50) GAAALDH1A1SMN1; SMN2POLBCYP2C9
SCHEMBL5078862 0.62 FHIT (0.50) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4090770 0.62 ALDH1A1 (0.49) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5082910 0.61 ALDH1A1 (0.47) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5079631 0.61 ALDH1A1 (0.47) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13517497 0.61 ALDH1A1 (0.47) GAAALDH1A1SMN1; SMN2POLBHTT
SCHEMBL19140227 0.61 ALDH1A1 (0.51) GAAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6246490 0.61 L3MBTL1 (0.67) GAAALDH1A1HPGDSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 GAA 4164/4885ALDH1A1 1504/4885HPGD 1873/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.